trimethyl (1S,9R,15S)-4-methoxy-8-methyl-14-(3-methylbutanoyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5,10,12-pentaene-10,11,15-tricarboxylate | 1014007-05-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: trimethyl (1S,9R,15S)-4-methoxy-8-methyl-14-(3-methylbutanoyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5,10,12-pentaene-10,11,15-tricarboxylate
• CAS: 1014007-05-6
• 化学式: C₂₆H₃₁N₃O₈
• 分子量: 513.547
• InChiKey: SDYBQOYRYBXADP-CWVVSJDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  trimethyl (1S,9R,15S)-4-methoxy-8-methyl-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5,10,13-pentaene-10,11,15-tricarboxylate 、 异戊酰氯 在 PS-DMAP 作用下， 生成 trimethyl (1S,9R,15S)-4-methoxy-8-methyl-14-(3-methylbutanoyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5,10,12-pentaene-10,11,15-tricarboxylate
  参考文献：
  名称：

  New small molecule inhibitors of hepatitis C virus

  摘要：

  New small molecule inhibitors of HCV were discovered by screening a small library of indoline alkaloid-type compounds. An automated assay format was employed which allowed identification of dimerization inhibitors of core, the capsid protein of the virus. These compounds were subsequently shown to block production of infectious virus in hepatoma cells. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.070